Processed databases
Atom-Mass pairs
Related entries (identical compound):
KO001179
KO001178
KO001175
KO001177
KO001176
KZ000231
KZ000232
KZ000233
GLS00013
KNA00041
KNA00042
KNA00043
KO003173
KO003172
KO003176
KO003175
KO003174
KNA00321
KNA00320
KNA00322
PR030010
OUF00312
PR010061
OUF01004
Outputs for L-Isoleucine; LC-ESI-QQ; MS2; CE:30 V; [M+H]+
Database: Institute for Advanced Biosciences, Keio Univ.
Entry ID: KO003174
Synonyms: Ile, 2-Amino-3-methylvaleric acid, L-Isoleucine
Total mass: 131.1724
Formula: H13 C6 O2 N1
Structure file (with ALATIS unique atom labels)
Experimental information
MS type: MS2Instrument: API3000, Applied Biosystems
Instrument type: LC-ESI-QQ
Ionization mode: POSITIVE
CAMP general report:
Acceptable mass threshold: 2.0158Out of range queried mass peaks:
Replicated queried mass peaks: 43.0, 45.1, 56.1, 57.2, 59.1, 68.0, 98.0,
Processing time: 0:00:01.851936
Queried mass list: ['30.100', '41.000', '44.100', '55.200', '58.100', '67.000', '69.300', '73.000', '86.200', '97.100', '99.900', '115.100']
| Queried mass | Num. matched formulas | Num. matched fragments |
| 30.1 (link to fragments) | 3 | 3 |
| 41.0 (link to fragments) | 3 | 7 |
| 44.1 (link to fragments) | 1 | 1 |
| 55.2 (link to fragments) | 4 | 8 |
| 58.1 (link to fragments) | 4 | 6 |
| 67.0 (link to fragments) | 5 | 10 |
| 69.3 (link to fragments) | 5 | 10 |
| 73.0 (link to fragments) | 2 | 2 |
| 86.2 (link to fragments) | 1 | 1 |
| 97.1 (link to fragments) | 1 | 1 |
| 99.9 (link to fragments) | 1 | 1 |
| 115.1 (link to fragments) | 3 | 5 |